SCHEMBL23620108

SCHEMBL23620108

COc1nc(OC)c([N+](=O)[O-])cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
HIF1A Q16665 1/20 0.38
MERTK Q12866 1/20 0.38
MAPT P10636 2/20 0.38
PIN1 Q13526 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.36
VCAM1 P19320 1/20 0.36
GALR2 O43603 1/20 0.36
POLB P06746 1/20 0.36
ERN1 O75460 1/20 0.36
ESPL1 Q14674 1/20 0.36
TXNRD1 Q16881 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29829625 1.00 ALDH1A1 (0.40) ALDH1A1HTTTDP1ATMHIF1A
SCHEMBL13729984 0.88 ALDH1A1 (0.42) ALDH1A1HTTTDP1ATMHIF1A
SCHEMBL29830193 0.88 ALDH1A1 (0.42) ALDH1A1HTTTDP1ATMHIF1A
SCHEMBL27036914 0.88 ALDH1A1 (0.38) ALDH1A1HTTTDP1ATMHIF1A
SCHEMBL10781069 0.87 ALDH1A1 (0.45) ALDH1A1HTTTDP1MERTKMAPT
SCHEMBL30731677 0.86 ERN1 (0.40) ALDH1A1HTTTDP1ATMHIF1A
SCHEMBL27038873 0.86 ERN1 (0.40) ALDH1A1HTTTDP1ATMHIF1A
SCHEMBL30977497 0.85 PIN1 (0.34) ALDH1A1HTTMERTKMAPTPIN1
SCHEMBL23620181 0.85 MERTK (0.41) ALDH1A1HTTTDP1ATMHIF1A
SCHEMBL30977598 0.83 MAPT (0.39) ALDH1A1HTTMAPTPIN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034110-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. 2025-01-30 US disclosed
EP-4380560-A1 LPAR1 ANTAGONISTS AND USES THEREOF Contineum Therapeutics, Inc. (US) 2024-06-12 EP disclosed
CN-118043041-A LPAR1 antagonists and uses thereof 康蒂内乌姆医疗公司 2024-05-14 CN disclosed
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides UCB PHARMA GMBH (DE) 2024-03-26 US disclosed
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides UCB PHARMA GMBH (DE) 2024-03-26 US disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
US-20210206749-A1 Pyridinyl and Pyrazinyl-(Asa)Indolsulfonamides UCB PHARMA GMBH (DE) 2021-07-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250034110-A1 LPAR1 ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR3 ALDH1A1 1523/4885HTT 3737/4885TDP1 3301/4885
US-20210206749-A1 Pyridinyl and Pyrazinyl-(Asa)Indolsulfonamides GPR17, GPR18, GPR119 ALDH1A1 732/4885HTT 2500/4885TDP1 3788/4885
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides GPR17, GPR18, GPR119 ALDH1A1 732/4885HTT 2500/4885TDP1 3788/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.